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1-(2-methoxybenzyl)-4-[4-(methylsulfanyl)benzyl]piperazinediium oxalate
SpectraBase Compound ID 2ZQVMuqjYVi
InChI InChI=1S/C20H26N2OS.C2H2O4/c1-23-20-6-4-3-5-18(20)16-22-13-11-21(12-14-22)15-17-7-9-19(24-2)10-8-17;3-1(4)2(5)6/h3-10H,11-16H2,1-2H3;(H,3,4)(H,5,6)
InChIKey UAABRIFWOULJPC-UHFFFAOYSA-N
Mol Weight 432.54 g/mol
Molecular Formula C22H28N2O5S
Exact Mass 432.171893 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID JlvNQX2sNWP
Name 1-(2-methoxybenzyl)-4-[4-(methylsulfanyl)benzyl]piperazinediium oxalate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C20H26N2OS.C2H2O4/c1-23-20-6-4-3-5-18(20)16-22-13-11-21(12-14-22)15-17-7-9-19(24-2)10-8-17;3-1(4)2(5)6/h3-10H,11-16H2,1-2H3;(H,3,4)(H,5,6)
InChIKey UAABRIFWOULJPC-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_12965
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9030099; UBI_ID: UBI-012968
Temperature 308 °C